Sharif Digital Repository

This investigation presents synthesis and characterization of pure and monophasic hydroxyapatite (Ca10(PO4)6(OH)2; HA) Nanostructures prepared by coral and oyster shell powders heated at 800 oC for 8 h as precursor via precipitation method. The morphology of HA nanostructures was controlled in the presence of various surfactants such as SDS, CTAB and PVP. The HA Nanorods synthesized by SDS were applied to fabricate bone scaffolds. Particle sizes of the HA Nanoparticles were about 20-30 nm. Pours three-dimensional HA/Ge/CMC scaffolds cross-linked by citric and oxalic acids were synthesized. In order to increase the pore size of the scaffolds, NaCl with medium (180-250 µm) and large (420-500... 

In the area of material studies, the atom structure models are the basis of all simulations and methods. With improvements in computers power, these models have become more consistent with experimental results. New theoretical methods combined with supercomputers assist to an understanding with detail and accuracy of material behavior at the atomic scale that leads to develop of the Computational Materials Science. Recently, developments in fields such as quantum mechanics, statistical physics, solid-state physics, quantum chemistry, computer science and graphics, allowed for faster computing which leads a powerful tool for material calculations and designs. New computer applications allow... 

In these days world, the increasing growth of Nanotechnology has caused to invent and create new numerical and also computational methods which have more abilities and capabilities for evaluating systems in this scale. Although Some techniques, such as Molecular Dynamics Methods are capable of evaluating nanostructures, lack the ability to simulate large systems of practical size and time scales which is the most important index during the simulation. Therefore, in order to be able to produce an acceptable exact simulation of a large model, simulation of which is limited by the computational cost of the current molecular dynamics methods at hand, Coarse-Graining technique has recently become... 

The development of Nanotechnology increasingly has elevated the urgency for the expansion of modern numerical and computational methods that have evaluating systems with capability at this scale. In spite of being fully capable of evaluating nanostructures, the existing techniques, such as Molecular Dynamics Methods, lack the ability to simulate large systems of practical size and time scales. Thus, being able to create a large model of realistic simulation, which is confined by the computational expense of the running Molecular Dynamics methods at hand, Coarse-Graining technique has recently become a very effective and beneficial method which refers to the development of simplified models of... 

In the last half century, the recording of the electrophysiological activities of the neurons has been one of the most effective methods for neuroscience development. One of the techniques used to record the activity of the nerve cells is the use of multi-electrode arrays (MEAs). Current MEAs still face limitations such as low signal-to-noise ratio (SNR) and low spatial resolution. There is a need to develop arrays that are smaller in size and have less impedance to achieve better spatial resolution and lower noise levels. The main focus of this research is on the designing and fabrication of multi-electrode arrays and improvement of their properties using nanostructures and conductive... 

Hydrothermal supercritical method is one of the most suitable methods for metal oxide nano powder, ceramics and mineral catalyst synthesis. Metal oxides nanopowder in its pure or mixed form has wide potential application as chemical industrial catalyst, hot Superconductors, magnetic material, gas sensors and car catalyst convertors. One of the most important metal oxides aspects of application is uranium oxide as nuclear reactor fuel is used. In addition, UO2 is selective catalyst for converting methane to methanol process and Decomposition of organic Chlorine material. In Supercritical hydrothermal method done in high pressure reactor with critical to fluid, is new method for the... 

In the following research a novel method for vibration analysis of nano-structures has been presented. This method is based on equalizing the lattice stiffness to a continuous model. In this method, an equivalent continuous system is considered for each atomic lattice and for the equivalent system a modified differential equation is presented. The governing equation of the continuous system is modified in such a way that the displacement field of the atomic lattice obtained by solving this differential equation gives similar responses to the displacement field of atomic lattice. This differential equation is derived from the Taylor expansion of the displacement field about the lattice atoms.... 

The goal of this thesis is to survey natural frequencis of nanostructures such as nanobeams and nanoplates using nonlocal theory of elasticity by finite element method. In nonlocal theory of elasticity,the constitutive relation appears as an integral form so that the stress of a point is a function of the strain of all points in the field such that by getting away from the assumed point, the effect of strains on the stress of that point decreases. In fact, the stress on a point is an average of stress in the field and the effect of stress of other points in determined by a function called the kernel function. In order to achieve natural frequencies and shape modes of a structure, we need to... 

In this research, molecular structural mechanics method is employed to calculate the Young’s modules of a two-layered carbon graphene sheet. For this purpose, covalent bonds are modeled using non-linear beam elements and van der Waals interactions are replaced by nonlinear truss elements. Morse potential and Lennard-Jones potential equations are used to simulate the covalent bonds and van der Waals interactions, respectively. For each atom, van der Waals forces are considered from all other atoms located in its cut-off radius. Young’s modulus, bending modules and Poisson’s ratio of single and two-layered graphene sheets were calculated and the results revealed that Young’s modulus decreases... 

In this research, various molecular dynamics simulations have been carried out and sensitivity of the crack propagation process to the simulation parameters including the load pattern, maximum applied strain, temperature, loading frequency, and percentage of defects is investigated. Moreover, the crack propagation in poly-crystalline structure is studied using a larger model consisting of several atomic crystals and the effect of the presence of crystals on crack growth is investigated. In the next step, a novel coupling technique is developed in the continuum–atomistic multi-scale analysis of temperature field problems. In this manner, a new thermostat is introduced based on the single-atom... 

It is well known that the classical continuum theory does not consider size effect in predicting material’s behavior, however at the micro and nano scales, this effect is not negligible and the classical theory has deficiencies at these scales. To take into account the size effect, higher order continuum theories introduce new material constants into the formulation. One famous version of these theories is couple stress which is applied in this research. This theory considers size effect of inhomogeneity by employing Characteristic length of materials. Quasi-static couple stress and classical dynamic approaches do not include explicitly the size of the material unit cell in the formulation... 

Nowadays, biocompatible composites are being utilized as scaffolds supporting cell growth promotion and features with the aim of organs regeneration or substitution based on tissue engineering principals. Moreover, in order to improve bioscaffolds features and function, various two-dimensional composite fillers have been under investigation; for instance, Graphene, Boron nitride, Metal dichalcogenides and oxides and black phosphorous and also electrospinning is mentioned as one of the most compatible and conventional processes of scaffold design that is also the main method of fabrication in this study. In addition, it should be pointed that biocompatible polymers and particularly natural... 

Polypropylene (PP) is a fast growing polymer, particularly in automotive industry, where PP compounds have replaced many different parts made of conventional materials. In the first step, PP-g-MA, as compatibilizer, was synthesized. Two kinds of polypropylenes including a homo- and a block co-polymer were incorporated for this goal. Characterizations via titration and FTIR tests revealed higher degree of grafting reaction when homo-polymer was used for synthesizing PP-g-MA. In the next step, nanocomposites containing 3 wt% nanoclay with three different PP-g-MA/nanoclay ratios of 1:1, 2:1 and 3:1were made using a co-rotating twin screw extruder. Tensile, impact and XRD tests were performed to... 

Electric field sensors are one of the common types of sensors that are widely used today to record changes in the electric field in underwater environments, also record pH changes in different materials. This type of sensor is inspired by the shark mucous membrane. In this study, silver / silver chloride silver (Ag / AgCl) was used for three methods of silver filtration directly in electrolyte containing chloride ion, Electrophoretic electrode method and electrode making method using silver oxide adhesive. Part of the electrodes manufacturing method involves converting part of silver into silver chloride. The made electrode has a length of 7 cm and a diameter of 0.5 mm, with its core made of... 

The microstructure, morphology and quality of the perovskite organic-inorganic layer as an absorber layer in perovskite solar cells has a significant role on the efficiency and energy conversion of the device. Different solvent engineering methods have been employed to prepare the perovskite layer with the desired properties and thier reproducibility have been studied. Herein, we applied a two-step solution approach by solvent engineering method, using solvents such as isopropyl alcohol, acetone and thier mixture, for preparation of lead iodide films. Moreover, their metallurgical and photovoltaic properties were investigated. The impact of solvent engineering, using solvents such as... 

In this study, ternary metal oxide coating consisting of Ti, Ru, Ir were prepared by sol-gel method. In order to achieve optimal conditions, the effect of number of layers, temperature and velocity of the heat treatment, the amount of ruthenium and iridium, polymeric additive on the coating and also, comparisons of binary and ternary oxide coatings were studied. The corrosion behavior was examined by anodic polarization and cyclic voltammetry tests and accelerated stability test (AST), the morphology of coatings was studied by field emission scanning electron microscopy (FESEM), phase and elemental analysis was performed using X-ray diffraction (XRD) and energy dispersive spectroscopy... 

Due to the ability in producing nanostructured materials, Mechanical Alloying has gained outstanding position in comparison with other materials fabrication techniques. In this research,with different milling condition, Alloying of Ni-Ti-Ag was performed. In order tofabricating the alloy, twodifferent initial materials were employed.In one process, nickel, titanium and silver were used as raw materials, and in another, titanium hydride was used instead of titanium.Initial powders were investigated in planetary mill, SPEX mill and vibratory disc indifferent times. Using XRD, microstructure information and phase analysis was obtained. EDS was employed for determination of elemental... 

A low-carbon steel, containing 0.05 C, 0.203 Mn and 0.0229 Si (all in wt%) rapidly annealed in temperature range 300 ºC - 900 ºC, after severe plastic deformation (SPD) by constrained groove pressing (CGP). Microstructure evolution was investigated by Scanning Electron and Optical Microscopy. Mechanical properties were evaluated by hardness measurements and Shear Punch Testing (SPT). The result showed a thermal stability at 300 ºC and 400 ºC, which recrystallization did not occurred in these temperatures up to 2 h holding time. By annealing at 500 ºC and 600 ºC, the onset of recrystallization observed after holding times of 10 min and 20 s, respectively. Predicting the kinetic of... 

This thesis demonstrate a new hybrid Plasma Electrolytic Oxidation (PEO)-Hydrothermal method to produce a nano-structured TiO2 layer over a titanium substrate. Microstructural characterization was carried out by using a FE-SEM to explore nano scale structural changes due to hydrothermal treatment. More over EDS was used to analyse elements of the coating. The FE-SEM images confirmed formation of a 3D network consisting “nano flakes+nano fibers”after 6 or 12 hours and a ”sea urchin like nanostructure+nano fibers” after 24 hour. To improve the performance of nano-structured photoelectrodes, different electrolytes were studied to achieve maximum amount of anatase phase. the best results was... 

NiTi is known as a most important material for manufacturing implants and other medical devises duo to its shape memory and super elasticity properties, high energy damping and high corrosion resistance.In this project the possibility of producing nano structured NiTi implant with high porosity was investigated. For reaching to nano scale mechanical alloying process was done on Ti and Ni powder as row materials. Mechanical alloying process and the possibility of reaching nano structure or amorphous phase was investigated. Space holder technic was used for reaching a porous structure. Sintering process was planned in a way to inhibit grain growth as much as possible. The samples sintered in...